SCHEMBL5873657

SCHEMBL5873657

CN(C)C1CCN(c2ccc3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.61
FPR1 P21462 1/20 0.47
FPR2 P25090 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5873506 0.89 MCHR1 (0.65) MCHR1
SCHEMBL5873508 0.87 MCHR1 (0.81) MCHR1
SCHEMBL5873547 0.87 MCHR1 (0.52) MCHR1
SCHEMBL5873691 0.83 KDM4E (0.47) MCHR1
SCHEMBL5873571 0.78 MCHR1 (0.76) MCHR1
SCHEMBL12528867 0.78 MCHR1 (0.67) MCHR1FPR1FPR2
SCHEMBL5873634 0.78 MCHR1 (0.75) MCHR1
SCHEMBL5873553 0.77 MCHR1 (0.73) MCHR1
SCHEMBL5873569 0.76 MCHR1 (1.00) MCHR1
SCHEMBL12528929 0.75 FPR1 (0.60) MCHR1FPR1FPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US claimed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885FPR1 677/4885FPR2 498/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.